3-bromanyl-4-tert-butyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]benzamide Formula: C20H27BrN2OS MolecularWeight: 423.41018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

InChI

InChI=1S/C20H27BrN2OS/c1-20(2,3)16-10-9-15(13-17(16)21)18(24)23-19(25)22-12-11-14-7-5-4-6-8-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H2,22,23,24,25)